Information card for entry 4080487

Structure parameters

• Formula: C84 H102 N8 O2 Si2 Y2
• Calculated formula: C84 H102 N8 O2 Si2 Y2
• SMILES: C1c2cccc(c2[N]2[Y]34([O]1[Y]156([O]4Cc4cccc(c4[N]1=C(C)N(c1c(cccc1C)C)c1cccc([n]61)N5c1c(cccc1C)C)C)C[Si](C)(C)C)(C[Si](C)(C)C)[n]1c(cccc1N3c1c(cccc1C)C)N(C=2C)c1c(cccc1C)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies
• Authors of publication: Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1517
• a: 24.1225 ± 0.0015 Å
• b: 14.6664 ± 0.0007 Å
• c: 29.2667 ± 0.0017 Å
• α: 90°
• β: 121.401 ± 0.002°
• γ: 90°
• Cell volume: 8837.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No